General Information of the Compound
| Compound ID |
CP0435297
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| Compound Name |
4-[1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]aniline
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| Structure |
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| Formula |
C25H27FN2O
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| Molecular Weight |
390.502
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| Canonical SMILES |
CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(N)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H27FN2O/c1-28(2)15-3-14-25(21-7-9-22(26)10-8-21)24-13-6-19(16-20(24)17-29-25)18-4-11-23(27)12-5-18/h4-13,16H,3,14-15,17,27H2,1-2H3
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| InChIKey |
HBJSMFYRIUQMKB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound